Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRITEDSARLSWTAPDAAFDSFTIKYIERATWGEAIWLNVPGSERSYDLTGLKPGTEYVVLINGVKGGPESWPLIAHFTT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.9768
• Maximal score value: 2.1783
• Average score: -0.7066
• Total score value: -63.5936

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.9826
2	L	A	0.2487
3	P	A	-0.1390
4	A	A	-0.2713
5	P	A	0.0000
6	K	A	-2.0098
7	N	A	-1.1162
8	L	A	0.2536
9	V	A	1.1505
10	V	A	0.1991
11	S	A	-0.5710
12	R	A	-1.9348
13	I	A	-0.8504
14	T	A	-1.6653
15	E	A	-2.9768
16	D	A	-2.6797
17	S	A	-2.0159
18	A	A	0.0000
19	R	A	-1.1917
20	L	A	0.0000
21	S	A	-0.3557
22	W	A	0.0000
23	T	A	-1.2809
24	A	A	-1.4147
25	P	A	-1.4119
26	D	A	-2.2587
27	A	A	-1.4575
28	A	A	-1.2144
29	F	A	0.0000
30	D	A	-2.6026
31	S	A	-1.9496
32	F	A	0.0000
33	T	A	-0.5343
34	I	A	0.0000
35	K	A	0.5919
36	Y	A	0.3128
37	I	A	0.0000
38	E	A	-1.4415
39	R	A	-1.4559
40	A	A	-0.5857
41	T	A	-0.4029
42	W	A	0.0650
43	G	A	-0.7871
44	E	A	-1.3877
45	A	A	-0.1567
46	I	A	0.8228
47	W	A	1.1154
48	L	A	0.3633
49	N	A	-0.9985
50	V	A	0.0000
51	P	A	-1.3774
52	G	A	0.0000
53	S	A	-1.5705
54	E	A	-1.6349
55	R	A	-1.1284
56	S	A	-0.6521
57	Y	A	-0.7729
58	D	A	-1.7059
59	L	A	0.0000
60	T	A	-1.3357
61	G	A	-1.4904
62	L	A	0.0000
63	K	A	-2.9422
64	P	A	-2.5102
65	G	A	-1.7501
66	T	A	-1.9145
67	E	A	-1.8713
68	Y	A	0.0000
69	V	A	0.0000
70	V	A	0.0000
71	L	A	1.0817
72	I	A	0.0000
73	N	A	-0.2718
74	G	A	0.0000
75	V	A	-1.8497
76	K	A	-2.3371
77	G	A	-1.8113
78	G	A	-1.7243
79	P	A	-1.3886
80	E	A	-1.8543
81	S	A	0.0000
82	W	A	1.1503
83	P	A	0.6339
84	L	A	1.0588
85	I	A	2.1783
86	A	A	0.9025
87	H	A	-0.6326
88	F	A	0.0000
89	T	A	-1.3172
90	T	A	-1.7432